[3-chloro-4-(trifluoromethyl)phenyl]methanol

C8H6ClF3O — CID 44557937

IUPAC[3-chloro-4-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H6ClF3O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3,13H,4H2
InChIKeyILMGAIHSRGUIOL-UHFFFAOYSA-N
MW210.58 g/mol
LogP2.85
Rot. Bonds1

About [3-chloro-4-(trifluoromethyl)phenyl]methanol

[3-chloro-4-(trifluoromethyl)phenyl]methanol (PubChem CID 44557937) has the molecular formula C8H6ClF3O and a molecular weight of 210.58 g/mol. Its IUPAC name is [3-chloro-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(trifluoromethyl)phenyl]methanol
PubChem CID44557937
Molecular FormulaC8H6ClF3O
Molecular Weight210.58 g/mol
Exact Mass210.01
IUPAC Name[3-chloro-4-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H6ClF3O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3,13H,4H2
InChIKeyILMGAIHSRGUIOL-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.58
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzenemethanol, 2,6-dichloro-
CID 27156
3-Chlorobenzyl alcohol
CID 70117
4-(Trifluoromethyl)benzenemethanol
CID 67684
(2,3-Dichlorophenyl)methanol
CID 228603
3,5-Dichlorobenzylic alcohol
CID 43236
2,5-Dichlorobenzylic alcohol
CID 118604
(1R)-1-(3-chlorophenyl)propan-1-ol
CID 10920958
3-Chloro-alpha-ethylbenzenemethanol
CID 11147981
2-Chlorobenzyl alcohol
CID 28810
1-(2-Chlorophenyl)ethanol
CID 26082
1-(4-Chlorophenyl)-2,2,2-trifluoroethanol
CID 260399
2-Chloro-6-fluorobenzyl alcohol
CID 91868

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3-chloro-4-(trifluoromethyl)phenyl]methanol (CID 44557937) is [3-chloro-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3-chloro-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3-chloro-4-(trifluoromethyl)phenyl]methanol is OCc1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is ILMGAIHSRGUIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3,13H,4H2.
What are the key properties of [3-chloro-4-(trifluoromethyl)phenyl]methanol?
[3-chloro-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 210.58 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 44557937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).